N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide

C13H19N7O2S2 — CID 110255655

IUPACN,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide
SMILESCc1nc(Nc2nncs2)cc(C2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C13H19N7O2S2/c1-9-15-10(7-12(16-9)17-13-18-14-8-23-13)11-5-4-6-20(11)24(21,22)19(2)3/h7-8,11H,4-6H2,1-3H3,(H,15,16,17,18)
InChIKeyWEFNAFMAABSKNA-UHFFFAOYSA-N
MW369.48 g/mol
LogP1.32
Rot. Bonds5

About N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide

N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide (PubChem CID 110255655) has the molecular formula C13H19N7O2S2 and a molecular weight of 369.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide
PubChem CID110255655
Molecular FormulaC13H19N7O2S2
Molecular Weight369.48 g/mol
Exact Mass369.10
IUPAC NameN,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide
SMILESCc1nc(Nc2nncs2)cc(C2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C13H19N7O2S2/c1-9-15-10(7-12(16-9)17-13-18-14-8-23-13)11-5-4-6-20(11)24(21,22)19(2)3/h7-8,11H,4-6H2,1-3H3,(H,15,16,17,18)
InChIKeyWEFNAFMAABSKNA-UHFFFAOYSA-N
XLogP1.32
TPSA104.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide (CID 110255655) is N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide is Cc1nc(Nc2nncs2)cc(C2CCCN2S(=O)(=O)N(C)C)n1.
What is the InChIKey of N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide?
The InChIKey is WEFNAFMAABSKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O2S2/c1-9-15-10(7-12(16-9)17-13-18-14-8-23-13)11-5-4-6-20(11)24(21,22)19(2)3/h7-8,11H,4-6H2,1-3H3,(H,15,16,17,18).
What are the key properties of N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide?
N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide has a molecular weight of 369.48 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-methyl-6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 110255655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).